Nan Rosemary Ke

Eliza Kosoy, David M. Chan, Adrian Liu et al.

Recent work in machine learning and cognitive science has suggested that understanding causal information is essential to the development of intelligence. The extensive literature in cognitive science using the ``blicket detector'' environment shows that children are adept at many kinds of causal inference and learning. We propose to adapt that environment for machine learning agents. One of the key challenges for current machine learning algorithms is modeling and understanding causal overhypotheses: transferable abstract hypotheses about sets of causal relationships. In contrast, even young children spontaneously learn and use causal overhypotheses. In this work, we present a new benchmark -- a flexible environment which allows for the evaluation of existing techniques under variable causal overhypotheses -- and demonstrate that many existing state-of-the-art methods have trouble generalizing in this environment. The code and resources for this benchmark are available at https://github.com/CannyLab/casual_overhypotheses.

Nan Rosemary Ke, Silvia Chiappa, Jane Wang et al. · deepmind, mila

The fundamental challenge in causal induction is to infer the underlying graph structure given observational and/or interventional data. Most existing causal induction algorithms operate by generating candidate graphs and evaluating them using either score-based methods (including continuous optimization) or independence tests. In our work, we instead treat the inference process as a black box and design a neural network architecture that learns the mapping from both observational and interventional data to graph structures via supervised training on synthetic graphs. The learned model generalizes to new synthetic graphs, is robust to train-test distribution shifts, and achieves state-of-the-art performance on naturalistic graphs for low sample complexity.

Nan Rosemary Ke, Sara-Jane Dunn, Jorg Bornschein et al. · deepmind, mila

Accurately inferring Gene Regulatory Networks (GRNs) is a critical and challenging task in biology. GRNs model the activatory and inhibitory interactions between genes and are inherently causal in nature. To accurately identify GRNs, perturbational data is required. However, most GRN discovery methods only operate on observational data. Recent advances in neural network-based causal discovery methods have significantly improved causal discovery, including handling interventional data, improvements in performance and scalability. However, applying state-of-the-art (SOTA) causal discovery methods in biology poses challenges, such as noisy data and a large number of samples. Thus, adapting the causal discovery methods is necessary to handle these challenges. In this paper, we introduce DiscoGen, a neural network-based GRN discovery method that can denoise gene expression measurements and handle interventional data. We demonstrate that our model outperforms SOTA neural network-based causal discovery methods.

Vedant Shah, Dingli Yu, Kaifeng Lyu et al. · mila, tsinghua

Current LLM training positions mathematical reasoning as a core capability. With publicly available sources fully tapped, there is unmet demand for diverse and challenging math questions. Relying solely on human experts is both time-consuming and costly, while LLM-generated questions often lack the requisite diversity and difficulty. We present a design framework that combines the strengths of LLMs with a human-in-the-loop approach to generate a diverse array of challenging math questions. We leverage LLM metacognition skills [Didolkar et al., 2024] of a strong LLM to extract core "skills" from existing math datasets. These skills serve as the basis for generating novel and difficult questions by prompting the LLM with random pairs of core skills. The use of two different skills within each question makes finding such questions an "out of distribution" task for both LLMs and humans. Our pipeline employs LLMs to iteratively generate and refine questions and solutions through multiturn prompting. Human annotators then verify and further refine the questions, with their efficiency enhanced via further LLM interactions. Applying this pipeline on skills extracted from the MATH dataset [Hendrycks et al., 2021] resulted in MATH$^2$ - a dataset of higher-quality math questions, as evidenced by: (a) Lower performance of all models on MATH$^2$ than on MATH (b) Higher performance on MATH when using MATH$^2$ questions as in-context examples. Although focused on mathematics, our methodology seems applicable to other domains requiring structured reasoning, and potentially as a component of scalable oversight. Also of interest is a striking relationship observed between models' performance on the new dataset: the success rate on MATH$^2$ is the square on MATH, suggesting that successfully solving the question in MATH$^2$ requires a nontrivial combination of two distinct math skills.

Aniket Didolkar, Kshitij Gupta, Anirudh Goyal et al. · mila

Recurrent neural networks have a strong inductive bias towards learning temporally compressed representations, as the entire history of a sequence is represented by a single vector. By contrast, Transformers have little inductive bias towards learning temporally compressed representations, as they allow for attention over all previously computed elements in a sequence. Having a more compressed representation of a sequence may be beneficial for generalization, as a high-level representation may be more easily re-used and re-purposed and will contain fewer irrelevant details. At the same time, excessive compression of representations comes at the cost of expressiveness. We propose a solution which divides computation into two streams. A slow stream that is recurrent in nature aims to learn a specialized and compressed representation, by forcing chunks of $K$ time steps into a single representation which is divided into multiple vectors. At the same time, a fast stream is parameterized as a Transformer to process chunks consisting of $K$ time-steps conditioned on the information in the slow-stream. In the proposed approach we hope to gain the expressiveness of the Transformer, while encouraging better compression and structuring of representations in the slow stream. We show the benefits of the proposed method in terms of improved sample efficiency and generalization performance as compared to various competitive baselines for visual perception and sequential decision making tasks.

Nino Scherrer, Anirudh Goyal, Stefan Bauer et al. · mila

Learning models that offer robust out-of-distribution generalization and fast adaptation is a key challenge in modern machine learning. Modelling causal structure into neural networks holds the promise to accomplish robust zero and few-shot adaptation. Recent advances in differentiable causal discovery have proposed to factorize the data generating process into a set of modules, i.e. one module for the conditional distribution of every variable where only causal parents are used as predictors. Such a modular decomposition of knowledge enables adaptation to distributions shifts by only updating a subset of parameters. In this work, we systematically study the generalization and adaption performance of such modular neural causal models by comparing it to monolithic models and structured models where the set of predictors is not constrained to causal parents. Our analysis shows that the modular neural causal models outperform other models on both zero and few-shot adaptation in low data regimes and offer robust generalization. We also found that the effects are more significant for sparser graphs as compared to denser graphs.

Gautam Gare, John Galeotti, Michael Mozer et al.

In nature, events that affect some individuals or groups but not others constitute an implicit intervention and are known as natural experiments. For example, the COVID-19 pandemic was an intervention by the coronavirus on the sub-population infected with COVID. We ask, do natural experiments occur in existing real-world datasets? If yes, how should we treat them? To detect natural experiments in data, we use causal discovery to recover the underlying causal graph and perform feature selection based on causal links. If downstream performance improves by treating the data as interventional rather than observational, we argue that this suggests the dataset contains natural experiments. We first validate this hypothesis by simulating datasets with and without natural experiments using synthetic graphs. We then perform a systematic empirical evaluation on a large suite of real-world datasets. Our results indicate that real-world datasets do contain natural experiments and we can take advantage of those natural experiments to improve model performance using causal inference. Our work represents the initial foray into this area, offering a preliminary exploration within a limited scope.

Jithendaraa Subramanian, Yashas Annadani, Ivaxi Sheth et al.

Causal learning has long concerned itself with the accurate recovery of underlying causal mechanisms. Such causal modelling enables better explanations of out-of-distribution data. Prior works on causal learning assume that the high-level causal variables are given. However, in machine learning tasks, one often operates on low-level data like image pixels or high-dimensional vectors. In such settings, the entire Structural Causal Model (SCM) -- structure, parameters, \textit{and} high-level causal variables -- is unobserved and needs to be learnt from low-level data. We treat this problem as Bayesian inference of the latent SCM, given low-level data. For linear Gaussian additive noise SCMs, we present a tractable approximate inference method which performs joint inference over the causal variables, structure and parameters of the latent SCM from random, known interventions. Experiments are performed on synthetic datasets and a causally generated image dataset to demonstrate the efficacy of our approach. We also perform image generation from unseen interventions, thereby verifying out of distribution generalization for the proposed causal model.

Chentian Jiang, Nan Rosemary Ke, Hado van Hasselt

To generalize across tasks, an agent should acquire knowledge from past tasks that facilitate adaptation and exploration in future tasks. We focus on the problem of in-context adaptation and exploration, where an agent only relies on context, i.e., history of states, actions and/or rewards, rather than gradient-based updates. Posterior sampling (extension of Thompson sampling) is a promising approach, but it requires Bayesian inference and dynamic programming, which often involve unknowns (e.g., a prior) and costly computations. To address these difficulties, we use a transformer to learn an inference process from training tasks and consider a hypothesis space of partial models, represented as small Markov decision processes that are cheap for dynamic programming. In our version of the Symbolic Alchemy benchmark, our method's adaptation speed and exploration-exploitation balance approach those of an exact posterior sampling oracle. We also show that even though partial models exclude relevant information from the environment, they can nevertheless lead to good policies.

Devansh Arpit, Bhargav Kanuparthi, Giancarlo Kerg et al.

Recurrent neural networks are known for their notorious exploding and vanishing gradient problem (EVGP). This problem becomes more evident in tasks where the information needed to correctly solve them exist over long time scales, because EVGP prevents important gradient components from being back-propagated adequately over a large number of steps. We introduce a simple stochastic algorithm (\textit{h}-detach) that is specific to LSTM optimization and targeted towards addressing this problem. Specifically, we show that when the LSTM weights are large, the gradient components through the linear path (cell state) in the LSTM computational graph get suppressed. Based on the hypothesis that these components carry information about long term dependencies (which we show empirically), their suppression can prevent LSTMs from capturing them. Our algorithm\footnote{Our code is available at https://github.com/bhargav104/h-detach.} prevents gradients flowing through this path from getting suppressed, thus allowing the LSTM to capture such dependencies better. We show significant improvements over vanilla LSTM gradient based training in terms of convergence speed, robustness to seed and learning rate, and generalization using our modification of LSTM gradient on various benchmark datasets.

Anirudh Goyal, Alessandro Sordoni, Marc-Alexandre Côté et al.

Many efforts have been devoted to training generative latent variable models with autoregressive decoders, such as recurrent neural networks (RNN). Stochastic recurrent models have been successful in capturing the variability observed in natural sequential data such as speech. We unify successful ideas from recently proposed architectures into a stochastic recurrent model: each step in the sequence is associated with a latent variable that is used to condition the recurrent dynamics for future steps. Training is performed with amortized variational inference where the approximate posterior is augmented with a RNN that runs backward through the sequence. In addition to maximizing the variational lower bound, we ease training of the latent variables by adding an auxiliary cost which forces them to reconstruct the state of the backward recurrent network. This provides the latent variables with a task-independent objective that enhances the performance of the overall model. We found this strategy to perform better than alternative approaches such as KL annealing. Although being conceptually simple, our model achieves state-of-the-art results on standard speech benchmarks such as TIMIT and Blizzard and competitive performance on sequential MNIST. Finally, we apply our model to language modeling on the IMDB dataset where the auxiliary cost helps in learning interpretable latent variables. Source Code: \url{https://github.com/anirudh9119/zforcing_nips17}

Anirudh Goyal, Nan Rosemary Ke, Surya Ganguli et al.

We propose a novel method to directly learn a stochastic transition operator whose repeated application provides generated samples. Traditional undirected graphical models approach this problem indirectly by learning a Markov chain model whose stationary distribution obeys detailed balance with respect to a parameterized energy function. The energy function is then modified so the model and data distributions match, with no guarantee on the number of steps required for the Markov chain to converge. Moreover, the detailed balance condition is highly restrictive: energy based models corresponding to neural networks must have symmetric weights, unlike biological neural circuits. In contrast, we develop a method for directly learning arbitrarily parameterized transition operators capable of expressing non-equilibrium stationary distributions that violate detailed balance, thereby enabling us to learn more biologically plausible asymmetric neural networks and more general non-energy based dynamical systems. The proposed training objective, which we derive via principled variational methods, encourages the transition operator to "walk back" in multi-step trajectories that start at data-points, as quickly as possible back to the original data points. We present a series of experimental results illustrating the soundness of the proposed approach, Variational Walkback (VW), on the MNIST, CIFAR-10, SVHN and CelebA datasets, demonstrating superior samples compared to earlier attempts to learn a transition operator. We also show that although each rapid training trajectory is limited to a finite but variable number of steps, our transition operator continues to generate good samples well past the length of such trajectories, thereby demonstrating the match of its non-equilibrium stationary distribution to the data distribution. Source Code: http://github.com/anirudh9119/walkback_nips17

Aniket Didolkar, Anirudh Goyal, Nan Rosemary Ke et al. · mila

Metacognitive knowledge refers to humans' intuitive knowledge of their own thinking and reasoning processes. Today's best LLMs clearly possess some reasoning processes. The paper gives evidence that they also have metacognitive knowledge, including ability to name skills and procedures to apply given a task. We explore this primarily in context of math reasoning, developing a prompt-guided interaction procedure to get a powerful LLM to assign sensible skill labels to math questions, followed by having it perform semantic clustering to obtain coarser families of skill labels. These coarse skill labels look interpretable to humans. To validate that these skill labels are meaningful and relevant to the LLM's reasoning processes we perform the following experiments. (a) We ask GPT-4 to assign skill labels to training questions in math datasets GSM8K and MATH. (b) When using an LLM to solve the test questions, we present it with the full list of skill labels and ask it to identify the skill needed. Then it is presented with randomly selected exemplar solved questions associated with that skill label. This improves accuracy on GSM8k and MATH for several strong LLMs, including code-assisted models. The methodology presented is domain-agnostic, even though this article applies it to math problems.

Siyuan Guo, Aniket Didolkar, Nan Rosemary Ke et al. · mila

We are beginning to see progress in language model assisted scientific discovery. Motivated by the use of LLMs as a general scientific assistant, this paper assesses the domain knowledge of LLMs through its understanding of different mathematical skills required to solve problems. In particular, we look at not just what the pre-trained model already knows, but how it learned to learn from information during in-context learning or instruction-tuning through exploiting the complex knowledge structure within mathematics. Motivated by the Neural Tangent Kernel (NTK), we propose \textit{NTKEval} to assess changes in LLM's probability distribution via training on different kinds of math data. Our systematic analysis finds evidence of domain understanding during in-context learning. By contrast, certain instruction-tuning leads to similar performance changes irrespective of training on different data, suggesting a lack of domain understanding across different skills.

Danny P. Sawyer, Nan Rosemary Ke, Hubert Soyer et al. · deepmind

Foundation models excel at single-turn reasoning but struggle with multi-turn exploration in dynamic environments, a requirement for many real-world challenges. We evaluated these models on their ability to learn from experience, adapt, and gather information. First, in "Feature World," a simple setting for testing information gathering, models performed near-optimally. However, to test more complex, multi-trial learning, we implemented a text-based version of the "Alchemy" environment, a benchmark for meta-learning. Here, agents must deduce a latent causal structure by integrating information across many trials. In this setting, recent foundation models initially failed to improve their performance over time. Crucially, we found that prompting the models to summarize their observations at regular intervals enabled an emergent meta-learning process. This allowed them to improve across trials and even adaptively re-learn when the environment's rules changed unexpectedly. While most models handled the simple task, Alchemy revealed stark differences in robustness: Gemini 2.5 performed best, followed by Claude 3.7, while ChatGPT-4o and o4-mini struggled. This underscores Alchemy's value as a benchmark. Our findings demonstrate that the biggest challenge for foundation models is not selecting informative actions in the moment, but integrating knowledge through adaptive strategies over time. Encouragingly, there appears to be no intrinsic barrier to future models mastering these abilities.

Izzy Newsham, Luka Kovačević, Richard Moulange et al.

Genes, proteins and other biological entities influence one another via causal molecular networks. Causal relationships in such networks are mediated by complex and diverse mechanisms, through latent variables, and are often specific to cellular context. It remains challenging to characterise such networks in practice. Here, we present a novel framework to evaluate large language models (LLMs) for zero-shot inference of causal relationships in biology. In particular, we systematically evaluate causal claims obtained from an LLM using real-world interventional data. This is done over one hundred variables and thousands of causal hypotheses. Furthermore, we consider several prompting and retrieval-augmentation strategies, including large, and potentially conflicting, collections of scientific articles. Our results show that with tailored augmentation and prompting, even relatively small LLMs can capture meaningful aspects of causal structure in biological systems. This supports the notion that LLMs could act as orchestration tools in biological discovery, by helping to distil current knowledge in ways amenable to downstream analysis. Our approach to assessing LLMs with respect to experimental data is relevant for a broad range of problems at the intersection of causal learning, LLMs and scientific discovery.

Eliza Kosoy, Adrian Liu, Jasmine Collins et al.

Despite recent progress in reinforcement learning (RL), RL algorithms for exploration still remain an active area of research. Existing methods often focus on state-based metrics, which do not consider the underlying causal structures of the environment, and while recent research has begun to explore RL environments for causal learning, these environments primarily leverage causal information through causal inference or induction rather than exploration. In contrast, human children - some of the most proficient explorers - have been shown to use causal information to great benefit. In this work, we introduce a novel RL environment designed with a controllable causal structure, which allows us to evaluate exploration strategies used by both agents and children in a unified environment. In addition, through experimentation on both computation models and children, we demonstrate that there are significant differences between information-gain optimal RL exploration in causal environments and the exploration of children in the same environments. We conclude with a discussion of how these findings may inspire new directions of research into efficient exploration and disambiguation of causal structures for RL algorithms.

Anirudh Goyal, Abram L. Friesen, Andrea Banino et al.

Most deep reinforcement learning (RL) algorithms distill experience into parametric behavior policies or value functions via gradient updates. While effective, this approach has several disadvantages: (1) it is computationally expensive, (2) it can take many updates to integrate experiences into the parametric model, (3) experiences that are not fully integrated do not appropriately influence the agent's behavior, and (4) behavior is limited by the capacity of the model. In this paper we explore an alternative paradigm in which we train a network to map a dataset of past experiences to optimal behavior. Specifically, we augment an RL agent with a retrieval process (parameterized as a neural network) that has direct access to a dataset of experiences. This dataset can come from the agent's past experiences, expert demonstrations, or any other relevant source. The retrieval process is trained to retrieve information from the dataset that may be useful in the current context, to help the agent achieve its goal faster and more efficiently. he proposed method facilitates learning agents that at test-time can condition their behavior on the entire dataset and not only the current state, or current trajectory. We integrate our method into two different RL agents: an offline DQN agent and an online R2D2 agent. In offline multi-task problems, we show that the retrieval-augmented DQN agent avoids task interference and learns faster than the baseline DQN agent. On Atari, we show that retrieval-augmented R2D2 learns significantly faster than the baseline R2D2 agent and achieves higher scores. We run extensive ablations to measure the contributions of the components of our proposed method.

Nino Scherrer, Olexa Bilaniuk, Yashas Annadani et al.

Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far, differentiable causal discovery has focused on static datasets of observational or fixed interventional origin. In this work, we introduce an active intervention targeting (AIT) method which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across multiple frameworks in a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data.

Nan Rosemary Ke, Aniket Didolkar, Sarthak Mittal et al.

Inducing causal relationships from observations is a classic problem in machine learning. Most work in causality starts from the premise that the causal variables themselves are observed. However, for AI agents such as robots trying to make sense of their environment, the only observables are low-level variables like pixels in images. To generalize well, an agent must induce high-level variables, particularly those which are causal or are affected by causal variables. A central goal for AI and causality is thus the joint discovery of abstract representations and causal structure. However, we note that existing environments for studying causal induction are poorly suited for this objective because they have complicated task-specific causal graphs which are impossible to manipulate parametrically (e.g., number of nodes, sparsity, causal chain length, etc.). In this work, our goal is to facilitate research in learning representations of high-level variables as well as causal structures among them. In order to systematically probe the ability of methods to identify these variables and structures, we design a suite of benchmarking RL environments. We evaluate various representation learning algorithms from the literature and find that explicitly incorporating structure and modularity in models can help causal induction in model-based reinforcement learning.

Kanika Madan, Nan Rosemary Ke, Anirudh Goyal et al.

Decomposing knowledge into interchangeable pieces promises a generalization advantage when there are changes in distribution. A learning agent interacting with its environment is likely to be faced with situations requiring novel combinations of existing pieces of knowledge. We hypothesize that such a decomposition of knowledge is particularly relevant for being able to generalize in a systematic manner to out-of-distribution changes. To study these ideas, we propose a particular training framework in which we assume that the pieces of knowledge an agent needs and its reward function are stationary and can be re-used across tasks. An attention mechanism dynamically selects which modules can be adapted to the current task, and the parameters of the selected modules are allowed to change quickly as the learner is confronted with variations in what it experiences, while the parameters of the attention mechanisms act as stable, slowly changing, meta-parameters. We focus on pieces of knowledge captured by an ensemble of modules sparsely communicating with each other via a bottleneck of attention. We find that meta-learning the modular aspects of the proposed system greatly helps in achieving faster adaptation in a reinforcement learning setup involving navigation in a partially observed grid world with image-level input. We also find that reversing the role of parameters and meta-parameters does not work nearly as well, suggesting a particular role for fast adaptation of the dynamically selected modules.

Anirudh Goyal, Aniket Didolkar, Nan Rosemary Ke et al.

Visual environments are structured, consisting of distinct objects or entities. These entities have properties -- both visible and latent -- that determine the manner in which they interact with one another. To partition images into entities, deep-learning researchers have proposed structural inductive biases such as slot-based architectures. To model interactions among entities, equivariant graph neural nets (GNNs) are used, but these are not particularly well suited to the task for two reasons. First, GNNs do not predispose interactions to be sparse, as relationships among independent entities are likely to be. Second, GNNs do not factorize knowledge about interactions in an entity-conditional manner. As an alternative, we take inspiration from cognitive science and resurrect a classic approach, production systems, which consist of a set of rule templates that are applied by binding placeholder variables in the rules to specific entities. Rules are scored on their match to entities, and the best fitting rules are applied to update entity properties. In a series of experiments, we demonstrate that this architecture achieves a flexible, dynamic flow of control and serves to factorize entity-specific and rule-based information. This disentangling of knowledge achieves robust future-state prediction in rich visual environments, outperforming state-of-the-art methods using GNNs, and allows for the extrapolation from simple (few object) environments to more complex environments.

Anirudh Goyal, Aniket Didolkar, Alex Lamb et al.

Deep learning has seen a movement away from representing examples with a monolithic hidden state towards a richly structured state. For example, Transformers segment by position, and object-centric architectures decompose images into entities. In all these architectures, interactions between different elements are modeled via pairwise interactions: Transformers make use of self-attention to incorporate information from other positions; object-centric architectures make use of graph neural networks to model interactions among entities. However, pairwise interactions may not achieve global coordination or a coherent, integrated representation that can be used for downstream tasks. In cognitive science, a global workspace architecture has been proposed in which functionally specialized components share information through a common, bandwidth-limited communication channel. We explore the use of such a communication channel in the context of deep learning for modeling the structure of complex environments. The proposed method includes a shared workspace through which communication among different specialist modules takes place but due to limits on the communication bandwidth, specialist modules must compete for access. We show that capacity limitations have a rational basis in that (1) they encourage specialization and compositionality and (2) they facilitate the synchronization of otherwise independent specialists.

Bernhard Schölkopf, Francesco Locatello, Stefan Bauer et al.

The two fields of machine learning and graphical causality arose and developed separately. However, there is now cross-pollination and increasing interest in both fields to benefit from the advances of the other. In the present paper, we review fundamental concepts of causal inference and relate them to crucial open problems of machine learning, including transfer and generalization, thereby assaying how causality can contribute to modern machine learning research. This also applies in the opposite direction: we note that most work in causality starts from the premise that the causal variables are given. A central problem for AI and causality is, thus, causal representation learning, the discovery of high-level causal variables from low-level observations. Finally, we delineate some implications of causality for machine learning and propose key research areas at the intersection of both communities.

Ignavier Ng, Sébastien Lachapelle, Nan Rosemary Ke et al.

Recently, structure learning of directed acyclic graphs (DAGs) has been formulated as a continuous optimization problem by leveraging an algebraic characterization of acyclicity. The constrained problem is solved using the augmented Lagrangian method (ALM) which is often preferred to the quadratic penalty method (QPM) by virtue of its standard convergence result that does not require the penalty coefficient to go to infinity, hence avoiding ill-conditioning. However, the convergence properties of these methods for structure learning, including whether they are guaranteed to return a DAG solution, remain unclear, which might limit their practical applications. In this work, we examine the convergence of ALM and QPM for structure learning in the linear, nonlinear, and confounded cases. We show that the standard convergence result of ALM does not hold in these settings, and demonstrate empirically that its behavior is akin to that of the QPM which is prone to ill-conditioning. We further establish the convergence guarantee of QPM to a DAG solution, under mild conditions. Lastly, we connect our theoretical results with existing approaches to help resolve the convergence issue, and verify our findings in light of an empirical comparison of them.

Nan Rosemary Ke, Jane. X. Wang, Jovana Mitrovic et al.

Causal models can compactly and efficiently encode the data-generating process under all interventions and hence may generalize better under changes in distribution. These models are often represented as Bayesian networks and learning them scales poorly with the number of variables. Moreover, these approaches cannot leverage previously learned knowledge to help with learning new causal models. In order to tackle these challenges, we represent a novel algorithm called \textit{causal relational networks} (CRN) for learning causal models using neural networks. The CRN represent causal models using continuous representations and hence could scale much better with the number of variables. These models also take in previously learned information to facilitate learning of new causal models. Finally, we propose a decoding-based metric to evaluate causal models with continuous representations. We test our method on synthetic data achieving high accuracy and quick adaptation to previously unseen causal models.

Danilo J. Rezende, Ivo Danihelka, George Papamakarios et al.

In reinforcement learning, we can learn a model of future observations and rewards, and use it to plan the agent's next actions. However, jointly modeling future observations can be computationally expensive or even intractable if the observations are high-dimensional (e.g. images). For this reason, previous works have considered partial models, which model only part of the observation. In this paper, we show that partial models can be causally incorrect: they are confounded by the observations they don't model, and can therefore lead to incorrect planning. To address this, we introduce a general family of partial models that are provably causally correct, yet remain fast because they do not need to fully model future observations.

Nan Rosemary Ke, Olexa Bilaniuk, Anirudh Goyal et al.

Promising results have driven a recent surge of interest in continuous optimization methods for Bayesian network structure learning from observational data. However, there are theoretical limitations on the identifiability of underlying structures obtained from observational data alone. Interventional data provides much richer information about the underlying data-generating process. However, the extension and application of methods designed for observational data to include interventions is not straightforward and remains an open problem. In this paper we provide a general framework based on continuous optimization and neural networks to create models for the combination of observational and interventional data. The proposed method is even applicable in the challenging and realistic case that the identity of the intervened upon variable is unknown. We examine the proposed method in the setting of graph recovery both de novo and from a partially-known edge set. We establish strong benchmark results on several structure learning tasks, including structure recovery of both synthetic graphs as well as standard graphs from the Bayesian Network Repository.

Nan Rosemary Ke, Amanpreet Singh, Ahmed Touati et al.

In model-based reinforcement learning, the agent interleaves between model learning and planning. These two components are inextricably intertwined. If the model is not able to provide sensible long-term prediction, the executed planner would exploit model flaws, which can yield catastrophic failures. This paper focuses on building a model that reasons about the long-term future and demonstrates how to use this for efficient planning and exploration. To this end, we build a latent-variable autoregressive model by leveraging recent ideas in variational inference. We argue that forcing latent variables to carry future information through an auxiliary task substantially improves long-term predictions. Moreover, by planning in the latent space, the planner's solution is ensured to be within regions where the model is valid. An exploration strategy can be devised by searching for unlikely trajectories under the model. Our method achieves higher reward faster compared to baselines on a variety of tasks and environments in both the imitation learning and model-based reinforcement learning settings.

Nan Rosemary Ke, Anirudh Goyal, Olexa Bilaniuk et al.

Learning long-term dependencies in extended temporal sequences requires credit assignment to events far back in the past. The most common method for training recurrent neural networks, back-propagation through time (BPTT), requires credit information to be propagated backwards through every single step of the forward computation, potentially over thousands or millions of time steps. This becomes computationally expensive or even infeasible when used with long sequences. Importantly, biological brains are unlikely to perform such detailed reverse replay over very long sequences of internal states (consider days, months, or years.) However, humans are often reminded of past memories or mental states which are associated with the current mental state. We consider the hypothesis that such memory associations between past and present could be used for credit assignment through arbitrarily long sequences, propagating the credit assigned to the current state to the associated past state. Based on this principle, we study a novel algorithm which only back-propagates through a few of these temporal skip connections, realized by a learned attention mechanism that associates current states with relevant past states. We demonstrate in experiments that our method matches or outperforms regular BPTT and truncated BPTT in tasks involving particularly long-term dependencies, but without requiring the biologically implausible backward replay through the whole history of states. Additionally, we demonstrate that the proposed method transfers to longer sequences significantly better than LSTMs trained with BPTT and LSTMs trained with full self-attention.

Nan Rosemary Ke, Konrad Zolna, Alessandro Sordoni et al.

Recurrent Neural Networks (RNNs) with attention mechanisms have obtained state-of-the-art results for many sequence processing tasks. Most of these models use a simple form of encoder with attention that looks over the entire sequence and assigns a weight to each token independently. We present a mechanism for focusing RNN encoders for sequence modelling tasks which allows them to attend to key parts of the input as needed. We formulate this using a multi-layer conditional sequence encoder that reads in one token at a time and makes a discrete decision on whether the token is relevant to the context or question being asked. The discrete gating mechanism takes in the context embedding and the current hidden state as inputs and controls information flow into the layer above. We train it using policy gradient methods. We evaluate this method on several types of tasks with different attributes. First, we evaluate the method on synthetic tasks which allow us to evaluate the model for its generalization ability and probe the behavior of the gates in more controlled settings. We then evaluate this approach on large scale Question Answering tasks including the challenging MS MARCO and SearchQA tasks. Our models shows consistent improvements for both tasks over prior work and our baselines. It has also shown to generalize significantly better on synthetic tasks as compared to the baselines.

Iulian V. Serban, Chinnadhurai Sankar, Mathieu Germain et al.

We present MILABOT: a deep reinforcement learning chatbot developed by the Montreal Institute for Learning Algorithms (MILA) for the Amazon Alexa Prize competition. MILABOT is capable of conversing with humans on popular small talk topics through both speech and text. The system consists of an ensemble of natural language generation and retrieval models, including neural network and template-based models. By applying reinforcement learning to crowdsourced data and real-world user interactions, the system has been trained to select an appropriate response from the models in its ensemble. The system has been evaluated through A/B testing with real-world users, where it performed significantly better than other systems. The results highlight the potential of coupling ensemble systems with deep reinforcement learning as a fruitful path for developing real-world, open-domain conversational agents.

Peter Henderson, Koustuv Sinha, Nicolas Angelard-Gontier et al.

The use of dialogue systems as a medium for human-machine interaction is an increasingly prevalent paradigm. A growing number of dialogue systems use conversation strategies that are learned from large datasets. There are well documented instances where interactions with these system have resulted in biased or even offensive conversations due to the data-driven training process. Here, we highlight potential ethical issues that arise in dialogue systems research, including: implicit biases in data-driven systems, the rise of adversarial examples, potential sources of privacy violations, safety concerns, special considerations for reinforcement learning systems, and reproducibility concerns. We also suggest areas stemming from these issues that deserve further investigation. Through this initial survey, we hope to spur research leading to robust, safe, and ethically sound dialogue systems.

Anirudh Goyal, Nan Rosemary Ke, Alex Lamb et al.

Generative Adversarial Networks (GANs) are a powerful framework for deep generative modeling. Posed as a two-player minimax problem, GANs are typically trained end-to-end on real-valued data and can be used to train a generator of high-dimensional and realistic images. However, a major limitation of GANs is that training relies on passing gradients from the discriminator through the generator via back-propagation. This makes it fundamentally difficult to train GANs with discrete data, as generation in this case typically involves a non-differentiable function. These difficulties extend to the reinforcement learning setting when the action space is composed of discrete decisions. We address these issues by reframing the GAN framework so that the generator is no longer trained using gradients through the discriminator, but is instead trained using a learned critic in the actor-critic framework with a Temporal Difference (TD) objective. This is a natural fit for sequence modeling and we use it to achieve improvements on language modeling tasks over the standard Teacher-Forcing methods.

Nan Rosemary Ke, Anirudh Goyal, Olexa Bilaniuk et al.

A major drawback of backpropagation through time (BPTT) is the difficulty of learning long-term dependencies, coming from having to propagate credit information backwards through every single step of the forward computation. This makes BPTT both computationally impractical and biologically implausible. For this reason, full backpropagation through time is rarely used on long sequences, and truncated backpropagation through time is used as a heuristic. However, this usually leads to biased estimates of the gradient in which longer term dependencies are ignored. Addressing this issue, we propose an alternative algorithm, Sparse Attentive Backtracking, which might also be related to principles used by brains to learn long-term dependencies. Sparse Attentive Backtracking learns an attention mechanism over the hidden states of the past and selectively backpropagates through paths with high attention weights. This allows the model to learn long term dependencies while only backtracking for a small number of time steps, not just from the recent past but also from attended relevant past states.

Iulian V. Serban, Chinnadhurai Sankar, Mathieu Germain et al.

We present MILABOT: a deep reinforcement learning chatbot developed by the Montreal Institute for Learning Algorithms (MILA) for the Amazon Alexa Prize competition. MILABOT is capable of conversing with humans on popular small talk topics through both speech and text. The system consists of an ensemble of natural language generation and retrieval models, including template-based models, bag-of-words models, sequence-to-sequence neural network and latent variable neural network models. By applying reinforcement learning to crowdsourced data and real-world user interactions, the system has been trained to select an appropriate response from the models in its ensemble. The system has been evaluated through A/B testing with real-world users, where it performed significantly better than many competing systems. Due to its machine learning architecture, the system is likely to improve with additional data.

Dmitriy Serdyuk, Nan Rosemary Ke, Alessandro Sordoni et al.

We propose a simple technique for encouraging generative RNNs to plan ahead. We train a "backward" recurrent network to generate a given sequence in reverse order, and we encourage states of the forward model to predict cotemporal states of the backward model. The backward network is used only during training, and plays no role during sampling or inference. We hypothesize that our approach eases modeling of long-term dependencies by implicitly forcing the forward states to hold information about the longer-term future (as contained in the backward states). We show empirically that our approach achieves 9% relative improvement for a speech recognition task, and achieves significant improvement on a COCO caption generation task.

David Krueger, Tegan Maharaj, János Kramár et al.

We propose zoneout, a novel method for regularizing RNNs. At each timestep, zoneout stochastically forces some hidden units to maintain their previous values. Like dropout, zoneout uses random noise to train a pseudo-ensemble, improving generalization. But by preserving instead of dropping hidden units, gradient information and state information are more readily propagated through time, as in feedforward stochastic depth networks. We perform an empirical investigation of various RNN regularizers, and find that zoneout gives significant performance improvements across tasks. We achieve competitive results with relatively simple models in character- and word-level language modelling on the Penn Treebank and Text8 datasets, and combining with recurrent batch normalization yields state-of-the-art results on permuted sequential MNIST.

Shi Zong, Hao Ni, Kenny Sung et al.

Most recommender systems recommend a list of items. The user examines the list, from the first item to the last, and often chooses the first attractive item and does not examine the rest. This type of user behavior can be modeled by the cascade model. In this work, we study cascading bandits, an online learning variant of the cascade model where the goal is to recommend $K$ most attractive items from a large set of $L$ candidate items. We propose two algorithms for solving this problem, which are based on the idea of linear generalization. The key idea in our solutions is that we learn a predictor of the attraction probabilities of items from their features, as opposing to learning the attraction probability of each item independently as in the existing work. This results in practical learning algorithms whose regret does not depend on the number of items $L$. We bound the regret of one algorithm and comprehensively evaluate the other on a range of recommendation problems. The algorithm performs well and outperforms all baselines.

Dzmitry Bahdanau, Dmitriy Serdyuk, Philémon Brakel et al.

Often, the performance on a supervised machine learning task is evaluated with a emph{task loss} function that cannot be optimized directly. Examples of such loss functions include the classification error, the edit distance and the BLEU score. A common workaround for this problem is to instead optimize a emph{surrogate loss} function, such as for instance cross-entropy or hinge loss. In order for this remedy to be effective, it is important to ensure that minimization of the surrogate loss results in minimization of the task loss, a condition that we call emph{consistency with the task loss}. In this work, we propose another method for deriving differentiable surrogate losses that provably meet this requirement. We focus on the broad class of models that define a score for every input-output pair. Our idea is that this score can be interpreted as an estimate of the task loss, and that the estimation error may be used as a consistent surrogate loss. A distinct feature of such an approach is that it defines the desirable value of the score for every input-output pair. We use this property to design specialized surrogate losses for Encoder-Decoder models often used for sequence prediction tasks. In our experiment, we benchmark on the task of speech recognition. Using a new surrogate loss instead of cross-entropy to train an Encoder-Decoder speech recognizer brings a significant ~13% relative improvement in terms of Character Error Rate (CER) in the case when no extra corpora are used for language modeling.

William Chan, Nan Rosemary Ke, Ian Lane

Deep Neural Network (DNN) acoustic models have yielded many state-of-the-art results in Automatic Speech Recognition (ASR) tasks. More recently, Recurrent Neural Network (RNN) models have been shown to outperform DNNs counterparts. However, state-of-the-art DNN and RNN models tend to be impractical to deploy on embedded systems with limited computational capacity. Traditionally, the approach for embedded platforms is to either train a small DNN directly, or to train a small DNN that learns the output distribution of a large DNN. In this paper, we utilize a state-of-the-art RNN to transfer knowledge to small DNN. We use the RNN model to generate soft alignments and minimize the Kullback-Leibler divergence against the small DNN. The small DNN trained on the soft RNN alignments achieved a 3.93 WER on the Wall Street Journal (WSJ) eval92 task compared to a baseline 4.54 WER or more than 13% relative improvement.